(2S)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2S)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-2-[(4-chlorophenyl)methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-2-(4-chlorobenzyl)pyrrolidin-1-ium-2-carboxylate Formula: C12H14ClNO2 MolecularWeight: 239.69806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)(CC2=CC=C(C=C2)Cl)C(=O)[O-]

Isomeric SMILES

C1C[C@]([NH2+]C1)(CC2=CC=C(C=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C12H14ClNO2/c13-10-4-2-9(3-5-10)8-12(11(15)16)6-1-7-14-12/h2-5,14H,1,6-8H2,(H,15,16)/t12-/m0/s1